Molecule FYI-1005850

A

Molecule Summary:

ID: FYI-1005850
Names:
InChIKey: TZNQBXMMPSETQC-UHFFFAOYSA-N
SMILES: CN1C(=O)NCC1C(=O)NCc2ccc(F)c(F)c2Cl

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005850 Edit

Molecule Structure InChIKey: TZNQBXMMPSETQC-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1C(=O)NCC1C(=O)NCc2ccc(F)c(F)c2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1005850
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    7.5930    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    2.1077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    0.5376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    4.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005850-3D
FYIcenter.com

 32 33  0     1  0  0  0  0  0999 V2000
   -2.4285    2.1722   -1.4582 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.4363    0.0368   -1.6709 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7687   -2.0615    0.0259 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5821   -0.0698    1.4349 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1316   -1.6483    0.0744 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7886    0.2908   -0.0318 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2098   -1.5103   -1.2599 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423    1.5151    0.1669 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196    0.6420   -0.6406 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2658   -0.4845   -1.6353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848    0.6470    0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1640   -1.0281   -0.3462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5132    1.1871    0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6943    1.6884    1.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7885    0.7046    0.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6210    0.8487   -0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9632   -0.3736    1.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6281   -0.0854   -0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9703   -1.3077    1.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8028   -1.1635    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5997    1.6175   -1.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2520   -0.8941   -1.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5086   -0.1775   -2.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2438   -2.4362   -1.6744 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149    2.1177    0.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4576    0.7307    1.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096    1.3961    1.7325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4490    2.0412   -0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0508    2.7194    0.9426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3530    1.5849    2.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3230   -0.5025    2.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1063   -2.1477    2.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 18  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 2513👍, 0💬